Information card for entry 7045898

Structure parameters

• Formula: C5 H13 B F3 O P
• Calculated formula: C5 H13 B F3 O P
• Title of publication: Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.
• Authors of publication: Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5366 - 5379
• a: 5.93 ± 0.002 Å
• b: 11.012 ± 0.005 Å
• c: 7.395 ± 0.004 Å
• α: 90°
• β: 108.874 ± 0.015°
• γ: 90°
• Cell volume: 456.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No